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

C7H16ClNO2S — CID 10560557

IUPAC3-chloro-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)CCCCl
InChIInChI=1S/C7H16ClNO2S/c1-7(2)6-9-12(10,11)5-3-4-8/h7,9H,3-6H2,1-2H3
InChIKeyDPSOCLBHRSXVPW-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.19
Rot. Bonds6

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

3-chloro-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 10560557) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID10560557
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name3-chloro-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)CCCCl
InChIInChI=1S/C7H16ClNO2S/c1-7(2)6-9-12(10,11)5-3-4-8/h7,9H,3-6H2,1-2H3
InChIKeyDPSOCLBHRSXVPW-UHFFFAOYSA-N
XLogP1.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methylpropane-1-sulfonamide
CID 10241253
1-Amino-3-chloro-2-methylsulfonylpropane
CID 12274475
3-chloro-N-methylbutane-1-sulfonamide
CID 13468214
3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79580205
3-chloro-2-methyl-N-(3,3,3-trifluoropropyl)propane-1-sulfonamide
CID 79585264
N-(3-chloro-2-methylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058539
3-chloro-N-(2,2-difluoroethyl)-2-methylpropane-1-sulfonamide
CID 115408343
N-(2-chloro-3-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116246226
n-(3-Chloropropyl)methanesulfonamide
CID 230924
3-chloro-N-isopropylpropane-1-sulfonamide
CID 10104225
3-chloro-N-propylpropane-1-sulfonamide
CID 10397875
N-ethyl-3-chloro propylsulfonamide
CID 10750033

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide (CID 10560557) is 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide is CC(C)CNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is DPSOCLBHRSXVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-7(2)6-9-12(10,11)5-3-4-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide?
3-chloro-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 213.73 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 10560557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).