Chemical ID: 5253665

c1cc(ccc1NCC(=O)O)S(=O)(=O)c2ccc(cc2)NCC(=O)O
Chemical ID:
5253665
Name [?]:
2-[4-[4-(carboxymethylamino)phenyl]sulfonylphenyl]aminoacetic acid
SMILES [?]:
c1cc(ccc1NCC(=O)O)S(=O)(=O)c2ccc(cc2)NCC(=O)O
InChi [?]:
InChI=1/C16H16N2O6S/c19-15(20)9-17-11-1-5-13(6-2-11)25(23,24)14-7-3-12(4-8-14)18-10-16(21)22/h1-8,17-18H,9-10H2,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,17,19,2,4,16,20,8,22,6,18,3,15,9,23,7,21,10,11,24,25,13,14,12/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/gE:(1,2)/CRV:25.6/rA:25nCCCCCCNCCOOSOOCCCCCCNCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s3;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O6S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.67105
Area:584.251
Solvation:-4.93524
Coulombic:-80.7496
Bond Count [?]
All:26
Single:16
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:364.374
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:0.63
LogP (Chemaxon):1.1

Name Annotations

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Descriptor Annotations

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