4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide

C14H17ClN2O3S — CID 103839298

IUPAC4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2(C3CC3)CC2)ccc1Cl
InChIInChI=1S/C14H17ClN2O3S/c15-11-4-1-9(7-12(11)21(16,19)20)13(18)17-8-14(5-6-14)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,18)(H2,16,19,20)
InChIKeyHFTBQVTXOGGMII-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.91
Rot. Bonds5

About 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide

4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide (PubChem CID 103839298) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
PubChem CID103839298
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2(C3CC3)CC2)ccc1Cl
InChIInChI=1S/C14H17ClN2O3S/c15-11-4-1-9(7-12(11)21(16,19)20)13(18)17-8-14(5-6-14)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,18)(H2,16,19,20)
InChIKeyHFTBQVTXOGGMII-UHFFFAOYSA-N
XLogP1.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1-methoxycyclobutyl)methyl]-3-sulfamoylbenzamide
CID 103991217
3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114095261
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
4-chloro-N-[4-[2-(cyclohexylamino)ethylamino]butyl]-3-sulfamoylbenzamide
CID 139937742
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide (CID 103839298) is 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCC2(C3CC3)CC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is HFTBQVTXOGGMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-11-4-1-9(7-12(11)21(16,19)20)13(18)17-8-14(5-6-14)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,18)(H2,16,19,20).
What are the key properties of 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide?
4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 328.82 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 103839298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).