4-chloro-N,N-dihexylbenzenesulfonamide

C18H30ClNO2S — CID 3310777

IUPAC4-chloro-N,N-dihexylbenzenesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClNO2S/c1-3-5-7-9-15-20(16-10-8-6-4-2)23(21,22)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3
InChIKeyKKDLMPJKLYCYLH-UHFFFAOYSA-N
MW359.96 g/mol
LogP5.49
Rot. Bonds12

About 4-chloro-N,N-dihexylbenzenesulfonamide

4-chloro-N,N-dihexylbenzenesulfonamide (PubChem CID 3310777) has the molecular formula C18H30ClNO2S and a molecular weight of 359.96 g/mol. Its IUPAC name is 4-chloro-N,N-dihexylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-dihexylbenzenesulfonamide
PubChem CID3310777
Molecular FormulaC18H30ClNO2S
Molecular Weight359.96 g/mol
Exact Mass359.17
IUPAC Name4-chloro-N,N-dihexylbenzenesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClNO2S/c1-3-5-7-9-15-20(16-10-8-6-4-2)23(21,22)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3
InChIKeyKKDLMPJKLYCYLH-UHFFFAOYSA-N
XLogP5.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.96
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3702192
N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
CID 171730221
2-[3-[2-[(4-chlorophenyl)sulfonyl-octylamino]ethyl]phenoxy]acetic acid
CID 67938057
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
(4-chlorophenyl)-octadecylsulfamic acid
CID 173322232
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide
CID 54451158

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dihexylbenzenesulfonamide?
The IUPAC name of 4-chloro-N,N-dihexylbenzenesulfonamide (CID 3310777) is 4-chloro-N,N-dihexylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N,N-dihexylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N,N-dihexylbenzenesulfonamide is CCCCCCN(CCCCCC)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N,N-dihexylbenzenesulfonamide?
The InChIKey is KKDLMPJKLYCYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO2S/c1-3-5-7-9-15-20(16-10-8-6-4-2)23(21,22)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3.
What are the key properties of 4-chloro-N,N-dihexylbenzenesulfonamide?
4-chloro-N,N-dihexylbenzenesulfonamide has a molecular weight of 359.96 g/mol, XLogP of 5.49, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dihexylbenzenesulfonamide is sourced from PubChem (CID 3310777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).