4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide

C12H18N2O4S2 — CID 64553058

IUPAC4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCNS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C12H18N2O4S2/c13-19(15,16)11-5-3-10(4-6-11)2-1-9-14-20(17,18)12-7-8-12/h3-6,12,14H,1-2,7-9H2,(H2,13,15,16)
InChIKeyCTMCDESKIZGKOA-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.35
Rot. Bonds7

About 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide

4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide (PubChem CID 64553058) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide
PubChem CID64553058
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCCNS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C12H18N2O4S2/c13-19(15,16)11-5-3-10(4-6-11)2-1-9-14-20(17,18)12-7-8-12/h3-6,12,14H,1-2,7-9H2,(H2,13,15,16)
InChIKeyCTMCDESKIZGKOA-UHFFFAOYSA-N
XLogP0.35
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
CID 54931498
4-[3-(propan-2-ylsulfonylamino)propyl]benzenesulfonamide
CID 60906181
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
N-[2-(4-tert-butylphenyl)ethyl]cyclopropanesulfonamide
CID 59732240
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[3-[(2-methylphenyl)methylsulfonylamino]propyl]benzenesulfonamide
CID 110293809
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 64554947
4-(4-sulfamoylphenyl)butanamide
CID 145476026
4-nonylbenzenesulfonamide
CID 19845394

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide (CID 64553058) is 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCCNS(=O)(=O)C2CC2)cc1.
What is the InChIKey of 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide?
The InChIKey is CTMCDESKIZGKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c13-19(15,16)11-5-3-10(4-6-11)2-1-9-14-20(17,18)12-7-8-12/h3-6,12,14H,1-2,7-9H2,(H2,13,15,16).
What are the key properties of 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide?
4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 64553058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).