3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide

C11H22ClNO2S — CID 79585918

IUPAC3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H22ClNO2S/c1-9(2)7-13(11-4-5-11)16(14,15)8-10(3)6-12/h9-11H,4-8H2,1-3H3
InChIKeyXQNFAQOVANNLRR-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.31
Rot. Bonds7

About 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide

3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 79585918) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID79585918
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C11H22ClNO2S/c1-9(2)7-13(11-4-5-11)16(14,15)8-10(3)6-12/h9-11H,4-8H2,1-3H3
InChIKeyXQNFAQOVANNLRR-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide 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

3-chloro-N-cyclohexyl-N-ethyl-2-methylpropane-1-sulfonamide
CID 79585815
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
N-cyclopropyl-N-(2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55001507
N-cyclopentyl-N-(2-methylpropyl)methanesulfonamide
CID 58199549
N-(2-bromoethyl)-N-cyclopropyl-2-methylpropane-1-sulfonamide
CID 80668009
3-chloro-N,2-dimethyl-N-(oxan-4-ylmethyl)propane-1-sulfonamide
CID 79585801
3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 79585920
2-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]-N-cyclohexyl-N-methylacetamide
CID 79556542
N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 102675688
N-(2-chloroethyl)-N-cyclopropylpropane-2-sulfonamide
CID 63397229
3-chloro-N,2-dimethyl-N-pentan-2-ylpropane-1-sulfonamide
CID 79580807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide (CID 79585918) is 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide is CC(C)CN(C1CC1)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is XQNFAQOVANNLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-9(2)7-13(11-4-5-11)16(14,15)8-10(3)6-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide?
3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-2-methyl-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 79585918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).