4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide

C14H15N3O3S — CID 29030560

IUPAC4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C14H15N3O3S/c15-9-10-4-6-11(7-5-10)14(18)17-12-2-1-3-13(8-12)21(16,19)20/h1-8H,9,15H2,(H,17,18)(H2,16,19,20)
InChIKeyFBGIEBUXNSQXIQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.04
Rot. Bonds4

About 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide

4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide (PubChem CID 29030560) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
PubChem CID29030560
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C14H15N3O3S/c15-9-10-4-6-11(7-5-10)14(18)17-12-2-1-3-13(8-12)21(16,19)20/h1-8H,9,15H2,(H,17,18)(H2,16,19,20)
InChIKeyFBGIEBUXNSQXIQ-UHFFFAOYSA-N
XLogP1.04
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 61251224
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
4-(benzotriazol-1-ylmethyl)-N-(3-sulfamoylphenyl)benzamide
CID 9073027
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676
3-ethoxy-N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]benzamide
CID 154762615
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide (CID 29030560) is 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide is NCc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is FBGIEBUXNSQXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-9-10-4-6-11(7-5-10)14(18)17-12-2-1-3-13(8-12)21(16,19)20/h1-8H,9,15H2,(H,17,18)(H2,16,19,20).
What are the key properties of 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide?
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 29030560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).