4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide

C16H24ClNO2S — CID 62924163

IUPAC4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-13(2)18(12-15-5-6-15)21(19,20)16-9-7-14(8-10-16)4-3-11-17/h7-10,13,15H,3-6,11-12H2,1-2H3
InChIKeyNHUMKJJTJHTHKN-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.67
Rot. Bonds8

About 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide

4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 62924163) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID62924163
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-13(2)18(12-15-5-6-15)21(19,20)16-9-7-14(8-10-16)4-3-11-17/h7-10,13,15H,3-6,11-12H2,1-2H3
InChIKeyNHUMKJJTJHTHKN-UHFFFAOYSA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide (CID 62924163) is 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CC1CC1)S(=O)(=O)c1ccc(CCCCl)cc1.
What is the InChIKey of 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NHUMKJJTJHTHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-13(2)18(12-15-5-6-15)21(19,20)16-9-7-14(8-10-16)4-3-11-17/h7-10,13,15H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide?
4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 329.89 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62924163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).