4-(4-chlorobutylsulfonylamino)benzenesulfonamide

C10H15ClN2O4S2 — CID 3018484

IUPAC4-(4-chlorobutylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1
InChIInChI=1S/C10H15ClN2O4S2/c11-7-1-2-8-18(14,15)13-9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,1-2,7-8H2,(H2,12,16,17)
InChIKeyJAWCYQCOPVFEDM-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.09
Rot. Bonds7

About 4-(4-chlorobutylsulfonylamino)benzenesulfonamide

4-(4-chlorobutylsulfonylamino)benzenesulfonamide (PubChem CID 3018484) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-(4-chlorobutylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorobutylsulfonylamino)benzenesulfonamide
PubChem CID3018484
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Name4-(4-chlorobutylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1
InChIInChI=1S/C10H15ClN2O4S2/c11-7-1-2-8-18(14,15)13-9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,1-2,7-8H2,(H2,12,16,17)
InChIKeyJAWCYQCOPVFEDM-UHFFFAOYSA-N
XLogP1.09
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026491
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
4-chloro-N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 116816251
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutylsulfonylamino)benzenesulfonamide?
The IUPAC name of 4-(4-chlorobutylsulfonylamino)benzenesulfonamide (CID 3018484) is 4-(4-chlorobutylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorobutylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorobutylsulfonylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)CCCCCl)cc1.
What is the InChIKey of 4-(4-chlorobutylsulfonylamino)benzenesulfonamide?
The InChIKey is JAWCYQCOPVFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c11-7-1-2-8-18(14,15)13-9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,1-2,7-8H2,(H2,12,16,17).
What are the key properties of 4-(4-chlorobutylsulfonylamino)benzenesulfonamide?
4-(4-chlorobutylsulfonylamino)benzenesulfonamide has a molecular weight of 326.83 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 3018484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).