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Chemical ID: 5508317

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)Oc3ncccn3

Chemical ID:

5508317

Name [?]:

N-(4-methoxyphenyl)-4-pyrimidin-2-yloxy-benzenesulfonamide

SMILES [?]:

COc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)Oc3ncccn3

InChi [?]:

InChI=1/C17H15N3O4S/c1-23-14-5-3-13(4-6-14)20-25(21,22)16-9-7-15(8-10-16)24-17-18-11-2-12-19-17/h2-12,20H,1H3

InChi Info:

AuxInfo=1/0/N:1,23,5,7,4,8,15,17,14,18,22,24,6,3,16,13,20,21,25,9,11,12,2,19,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(18,19)(21,22)/CRV:25.6/rA:25nCOCCCCCCNSOOCCCCCCOCNCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅N₃O₄S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.32692
Area:	525.816
Solvation:	-4.81848
Coulombic:	-39.4799

Bond Count [?]

All:	27
Single:	16
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	357.385
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.55
LogP (Chemaxon):	2.33

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value