N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide

C11H24ClNO2S — CID 103521702

IUPACN-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-10(2)13(8-7-12)16(14,15)9-6-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyQKSPCUCSVQOIPN-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.70
Rot. Bonds6

About N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide

N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 103521702) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
PubChem CID103521702
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-10(2)13(8-7-12)16(14,15)9-6-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyQKSPCUCSVQOIPN-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-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-ethyl-N-propan-2-ylpropane-1-sulfonamide
CID 43654533
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide
CID 107492819
N-(2-chloroethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 107493017
3-chloro-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735557
3-chloro-N-(3,3-dimethylbutyl)-N-propan-2-ylpropane-1-sulfonamide
CID 18735558
3-chloro-N-(3,3-dimethylbutyl)-N-propylpropane-1-sulfonamide
CID 18735559
N-butyl-3-chloro-N-(3,3-dimethylbutyl)propane-1-sulfonamide
CID 18736055
3-chloro-N-methyl-N-(3-methylbutan-2-yl)propane-1-sulfonamide
CID 43653881
3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide
CID 60959191
3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide
CID 60959417
N-(2-chloroethyl)-N-cyclopropylpropane-1-sulfonamide
CID 63397183
N-(2-chloroethyl)-N-cyclopropylbutane-1-sulfonamide
CID 63397225

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide (CID 103521702) is N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide is CC(C)N(CCCl)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is QKSPCUCSVQOIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-10(2)13(8-7-12)16(14,15)9-6-11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide?
N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 103521702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).