4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide

C11H15Cl2NO3S — CID 114151632

IUPAC4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCCl)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15Cl2NO3S/c1-17-8-10(6-7-12)14-18(15,16)11-4-2-9(13)3-5-11/h2-5,10,14H,6-8H2,1H3
InChIKeyBDTRNKCFSXVMKS-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.26
Rot. Bonds7

About 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide

4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 114151632) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
PubChem CID114151632
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCCl)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15Cl2NO3S/c1-17-8-10(6-7-12)14-18(15,16)11-4-2-9(13)3-5-11/h2-5,10,14H,6-8H2,1H3
InChIKeyBDTRNKCFSXVMKS-UHFFFAOYSA-N
XLogP2.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-chloro-1-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106158237
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
4-bromo-2,6-dichloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 106158302
N-(4-bromo-1-methoxybutan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 114151678
3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 3821518
N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185109
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106158328
N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 106185125
N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
CID 3754148
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide (CID 114151632) is 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide is COCC(CCCl)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is BDTRNKCFSXVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-17-8-10(6-7-12)14-18(15,16)11-4-2-9(13)3-5-11/h2-5,10,14H,6-8H2,1H3.
What are the key properties of 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide?
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 114151632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).