2-chlorobutane-1-sulfonamide

C4H10ClNO2S — CID 21149465

IUPAC2-chlorobutane-1-sulfonamide
SMILESCCC(Cl)CS(N)(=O)=O
InChIInChI=1S/C4H10ClNO2S/c1-2-4(5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyIGNGCQSXTRLUSL-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.29
Rot. Bonds3

About 2-chlorobutane-1-sulfonamide

2-chlorobutane-1-sulfonamide (PubChem CID 21149465) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 2-chlorobutane-1-sulfonamide.

Molecular Properties

Compound Name2-chlorobutane-1-sulfonamide
PubChem CID21149465
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name2-chlorobutane-1-sulfonamide
SMILESCCC(Cl)CS(N)(=O)=O
InChIInChI=1S/C4H10ClNO2S/c1-2-4(5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyIGNGCQSXTRLUSL-UHFFFAOYSA-N
XLogP0.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.29
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

1-Butanesulfonamide, 4-chloro-
CID 18461
4-chloro-N-methylbutane-1-sulfonamide
CID 10375164
3-Chloropropane-1-sulfonamide
CID 13614818
1-Chloroethanesulfonamide
CID 334906
3-chloro-N,N-dimethylpropane-1-sulfonamide
CID 10035328
3-chloro-N-methylpropane-1-sulfonamide
CID 10241253
3-Chlorobutane-1-sulfonyl chloride
CID 12589218
1-Chloro-1-propylsulfonylsulfanylpropane
CID 12840196
5-Chloropentanesulfonamide
CID 9989962
3-Chlorobutane-1-sulfonamide
CID 13468213
N-sulfonyl-3-[trifluoro(methyl)-lambda5-chloranyl]propane-1-sulfonamide
CID 59046739
3-chloro-N-methylbutane-1-sulfonamide
CID 13468214

Frequently Asked Questions

What is the IUPAC name of 2-chlorobutane-1-sulfonamide?
The IUPAC name of 2-chlorobutane-1-sulfonamide (CID 21149465) is 2-chlorobutane-1-sulfonamide.
What is the SMILES notation for 2-chlorobutane-1-sulfonamide?
The canonical SMILES for 2-chlorobutane-1-sulfonamide is CCC(Cl)CS(N)(=O)=O.
What is the InChIKey of 2-chlorobutane-1-sulfonamide?
The InChIKey is IGNGCQSXTRLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClNO2S/c1-2-4(5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 2-chlorobutane-1-sulfonamide?
2-chlorobutane-1-sulfonamide has a molecular weight of 171.65 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobutane-1-sulfonamide is sourced from PubChem (CID 21149465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).