N-(2-methylbutyl)sulfamoyl chloride

C5H12ClNO2S — CID 114958197

IUPACN-(2-methylbutyl)sulfamoyl chloride
SMILESCCC(C)CNS(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-3-5(2)4-7-10(6,8)9/h5,7H,3-4H2,1-2H3
InChIKeyKMWADDITXPPLSQ-UHFFFAOYSA-N
MW185.68 g/mol
LogP1.11
Rot. Bonds4

About N-(2-methylbutyl)sulfamoyl chloride

N-(2-methylbutyl)sulfamoyl chloride (PubChem CID 114958197) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-(2-methylbutyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2-methylbutyl)sulfamoyl chloride
PubChem CID114958197
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-(2-methylbutyl)sulfamoyl chloride
SMILESCCC(C)CNS(=O)(=O)Cl
InChIInChI=1S/C5H12ClNO2S/c1-3-5(2)4-7-10(6,8)9/h5,7H,3-4H2,1-2H3
InChIKeyKMWADDITXPPLSQ-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylbutyl)sulfamoyl 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-(2-methylbutyl)ethanesulfonamide
CID 64584156
2-chloro-N-(2-methylbutyl)ethanesulfonamide
CID 107651892
3-amino-N-(2-methylbutyl)propane-1-sulfonamide
CID 62694759
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
CID 113469315
N-(3-chloro-2-methylpropyl)methanesulfonamide
CID 65036670
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
6-amino-5-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64601703
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
CID 25036817

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)sulfamoyl chloride?
The IUPAC name of N-(2-methylbutyl)sulfamoyl chloride (CID 114958197) is N-(2-methylbutyl)sulfamoyl chloride.
What is the SMILES notation for N-(2-methylbutyl)sulfamoyl chloride?
The canonical SMILES for N-(2-methylbutyl)sulfamoyl chloride is CCC(C)CNS(=O)(=O)Cl.
What is the InChIKey of N-(2-methylbutyl)sulfamoyl chloride?
The InChIKey is KMWADDITXPPLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-3-5(2)4-7-10(6,8)9/h5,7H,3-4H2,1-2H3.
What are the key properties of N-(2-methylbutyl)sulfamoyl chloride?
N-(2-methylbutyl)sulfamoyl chloride has a molecular weight of 185.68 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)sulfamoyl chloride is sourced from PubChem (CID 114958197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).