4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride

C10H12ClNO4S2 — CID 18072907

IUPAC4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C10H12ClNO4S2/c11-17(13,14)9-3-5-10(6-4-9)18(15,16)12-7-8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKeyBXQILBYLZOFVQK-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.30
Rot. Bonds5

About 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride

4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride (PubChem CID 18072907) has the molecular formula C10H12ClNO4S2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
PubChem CID18072907
Molecular FormulaC10H12ClNO4S2
Molecular Weight309.80 g/mol
Exact Mass308.99
IUPAC Name4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C10H12ClNO4S2/c11-17(13,14)9-3-5-10(6-4-9)18(15,16)12-7-8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKeyBXQILBYLZOFVQK-UHFFFAOYSA-N
XLogP1.30
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride (CID 18072907) is 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(S(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is BXQILBYLZOFVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S2/c11-17(13,14)9-3-5-10(6-4-9)18(15,16)12-7-8-1-2-8/h3-6,8,12H,1-2,7H2.
What are the key properties of 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride?
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 309.80 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 18072907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).