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Chemical ID: 6652676

Chemical ID:

6652676

Name [?]:

4-amino-N-(5-propoxypyrimidin-2-yl)-benzenesulfonamide

SMILES [?]:

CCCOc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N

InChi [?]:

InChI=1/C13H16N4O3S/c1-2-7-20-11-8-15-13(16-9-11)17-21(18,19)12-5-3-10(14)4-6-12/h3-6,8-9H,2,7,14H2,1H3,(H,15,16,17)

InChi Info:

AuxInfo=1/1/N:1,2,17,19,16,20,3,6,10,18,5,15,8,21,7,9,11,13,14,4,12/E:(3,4)(5,6)(8,9)(15,16)(18,19)/CRV:21.6/rA:21nCCCOCCNCNCNSOOCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₆N₄O₃S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.90513
Area:	492.352
Solvation:	-3.40368
Coulombic:	-47.8471

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	308.357
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	0.53
LogP (Chemaxon):	-1.52

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