4-[(3-sulfamoylanilino)methyl]benzamide

C14H15N3O3S — CID 43761254

IUPAC4-[(3-sulfamoylanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C14H15N3O3S/c15-14(18)11-6-4-10(5-7-11)9-17-12-2-1-3-13(8-12)21(16,19)20/h1-8,17H,9H2,(H2,15,18)(H2,16,19,20)
InChIKeyDABQLUIALHNSIC-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.04
Rot. Bonds5

About 4-[(3-sulfamoylanilino)methyl]benzamide

4-[(3-sulfamoylanilino)methyl]benzamide (PubChem CID 43761254) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(3-sulfamoylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-sulfamoylanilino)methyl]benzamide
PubChem CID43761254
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-[(3-sulfamoylanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C14H15N3O3S/c15-14(18)11-6-4-10(5-7-11)9-17-12-2-1-3-13(8-12)21(16,19)20/h1-8,17H,9H2,(H2,15,18)(H2,16,19,20)
InChIKeyDABQLUIALHNSIC-UHFFFAOYSA-N
XLogP1.04
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-[(3-methylsulfonylanilino)methyl]benzamide
CID 60713201
3-[(4-methylsulfonylphenyl)methylamino]benzenesulfonamide
CID 167770306
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[(3-ethynylanilino)methyl]benzamide
CID 28564163
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
3-[(2,3,4-trihydroxyphenyl)methylamino]benzenesulfonamide
CID 107730329
4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 61251224
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
(E)-N-(2-aminophenyl)-3-[4-[(3-sulfamoylanilino)methyl]phenyl]prop-2-enamide
CID 20786001
4-[(4-sulfamoylphenyl)methylamino]benzenecarbothioamide
CID 29295496

Frequently Asked Questions

What is the IUPAC name of 4-[(3-sulfamoylanilino)methyl]benzamide?
The IUPAC name of 4-[(3-sulfamoylanilino)methyl]benzamide (CID 43761254) is 4-[(3-sulfamoylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3-sulfamoylanilino)methyl]benzamide?
The canonical SMILES for 4-[(3-sulfamoylanilino)methyl]benzamide is NC(=O)c1ccc(CNc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-[(3-sulfamoylanilino)methyl]benzamide?
The InChIKey is DABQLUIALHNSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-14(18)11-6-4-10(5-7-11)9-17-12-2-1-3-13(8-12)21(16,19)20/h1-8,17H,9H2,(H2,15,18)(H2,16,19,20).
What are the key properties of 4-[(3-sulfamoylanilino)methyl]benzamide?
4-[(3-sulfamoylanilino)methyl]benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-sulfamoylanilino)methyl]benzamide is sourced from PubChem (CID 43761254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).