4-chloro-N-cyclopropylbutane-1-sulfonamide

C7H14ClNO2S — CID 10465762

IUPAC4-chloro-N-cyclopropylbutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NC1CC1
InChIInChI=1S/C7H14ClNO2S/c8-5-1-2-6-12(10,11)9-7-3-4-7/h7,9H,1-6H2
InChIKeyDNBGZOHTGABDER-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.09
Rot. Bonds6

About 4-chloro-N-cyclopropylbutane-1-sulfonamide

4-chloro-N-cyclopropylbutane-1-sulfonamide (PubChem CID 10465762) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 4-chloro-N-cyclopropylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropylbutane-1-sulfonamide
PubChem CID10465762
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name4-chloro-N-cyclopropylbutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NC1CC1
InChIInChI=1S/C7H14ClNO2S/c8-5-1-2-6-12(10,11)9-7-3-4-7/h7,9H,1-6H2
InChIKeyDNBGZOHTGABDER-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropylbutane-1-sulfonamide?
The IUPAC name of 4-chloro-N-cyclopropylbutane-1-sulfonamide (CID 10465762) is 4-chloro-N-cyclopropylbutane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopropylbutane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-cyclopropylbutane-1-sulfonamide is O=S(=O)(CCCCCl)NC1CC1.
What is the InChIKey of 4-chloro-N-cyclopropylbutane-1-sulfonamide?
The InChIKey is DNBGZOHTGABDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c8-5-1-2-6-12(10,11)9-7-3-4-7/h7,9H,1-6H2.
What are the key properties of 4-chloro-N-cyclopropylbutane-1-sulfonamide?
4-chloro-N-cyclopropylbutane-1-sulfonamide has a molecular weight of 211.71 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropylbutane-1-sulfonamide is sourced from PubChem (CID 10465762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).