N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide

C17H17N3O4S — CID 18106352

IUPACN-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)C1CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17N3O4S/c21-16(12-6-7-12)18-19-17(22)13-8-10-14(11-9-13)20-25(23,24)15-4-2-1-3-5-15/h1-5,8-12,20H,6-7H2,(H,18,21)(H,19,22)
InChIKeyNWMPPLRTAJOGCU-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.66
Rot. Bonds5

About N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide

N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide (PubChem CID 18106352) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide
PubChem CID18106352
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide
SMILESO=C(NNC(=O)C1CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17N3O4S/c21-16(12-6-7-12)18-19-17(22)13-8-10-14(11-9-13)20-25(23,24)15-4-2-1-3-5-15/h1-5,8-12,20H,6-7H2,(H,18,21)(H,19,22)
InChIKeyNWMPPLRTAJOGCU-UHFFFAOYSA-N
XLogP1.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-[(cyclopropanecarbonylamino)carbamoyl]benzenesulfonamide
CID 24642864
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
4-(benzenesulfonamido)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 55711862
N'-(cyclopropanecarbonyl)-4-phenylbenzohydrazide
CID 833146
4-(benzenesulfonamido)-N-(1-cyclopropylethyl)benzamide
CID 84975243
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
cis-(1R,3S)-3-[[4-(phenylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677340
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161
N-[4-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 46521478
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide (CID 18106352) is N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide is O=C(NNC(=O)C1CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is NWMPPLRTAJOGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-16(12-6-7-12)18-19-17(22)13-8-10-14(11-9-13)20-25(23,24)15-4-2-1-3-5-15/h1-5,8-12,20H,6-7H2,(H,18,21)(H,19,22).
What are the key properties of N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide?
N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 18106352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).