4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide

C15H24ClNO3S — CID 62924340

IUPAC4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C15H24ClNO3S/c1-4-17(13(2)12-20-3)21(18,19)15-9-7-14(8-10-15)6-5-11-16/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyZMMYRMCJXAGHNS-UHFFFAOYSA-N
MW333.88 g/mol
LogP2.90
Rot. Bonds9

About 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide

4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 62924340) has the molecular formula C15H24ClNO3S and a molecular weight of 333.88 g/mol. Its IUPAC name is 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID62924340
Molecular FormulaC15H24ClNO3S
Molecular Weight333.88 g/mol
Exact Mass333.12
IUPAC Name4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C15H24ClNO3S/c1-4-17(13(2)12-20-3)21(18,19)15-9-7-14(8-10-15)6-5-11-16/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyZMMYRMCJXAGHNS-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61111847
4-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 62924163
[4-(2-methoxyethyl)phenyl] 4-(3-chloropropyl)benzenesulfonate
CID 52847438
4-(2-chloroethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63409305
2-amino-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 55043601
6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 115602608
3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid
CID 62827439
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402746
4-(2-chloroethyl)-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43662620
4-(2-chloroethyl)-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 54877174
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
1-(4-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 55139513

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 62924340) is 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide is CCN(C(C)COC)S(=O)(=O)c1ccc(CCCCl)cc1.
What is the InChIKey of 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is ZMMYRMCJXAGHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3S/c1-4-17(13(2)12-20-3)21(18,19)15-9-7-14(8-10-15)6-5-11-16/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 333.88 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 62924340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).