4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide

C19H22ClN3O6S2 — CID 26965519

IUPAC4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22ClN3O6S2/c1-22(15-5-3-2-4-6-15)31(28,29)16-9-7-14(8-10-16)21-30(26,27)17-11-12-18(20)19(13-17)23(24)25/h7-13,15,21H,2-6H2,1H3
InChIKeySQHIXUBHZZQTLT-UHFFFAOYSA-N
MW487.99 g/mol
LogP4.00
Rot. Bonds7

About 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide

4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide (PubChem CID 26965519) has the molecular formula C19H22ClN3O6S2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
PubChem CID26965519
Molecular FormulaC19H22ClN3O6S2
Molecular Weight487.99 g/mol
Exact Mass487.06
IUPAC Name4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H22ClN3O6S2/c1-22(15-5-3-2-4-6-15)31(28,29)16-9-7-14(8-10-16)21-30(26,27)17-11-12-18(20)19(13-17)23(24)25/h7-13,15,21H,2-6H2,1H3
InChIKeySQHIXUBHZZQTLT-UHFFFAOYSA-N
XLogP4.00
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26967231
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
4-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide
CID 11371456
4-chloro-N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26969002
N-cyclopentyl-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
CID 43213246
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
5-[(4-chloro-3-nitrophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26970860
5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742364
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-cyclopentyl-3-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 82847526
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide (CID 26965519) is 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide?
The InChIKey is SQHIXUBHZZQTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O6S2/c1-22(15-5-3-2-4-6-15)31(28,29)16-9-7-14(8-10-16)21-30(26,27)17-11-12-18(20)19(13-17)23(24)25/h7-13,15,21H,2-6H2,1H3.
What are the key properties of 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide?
4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide has a molecular weight of 487.99 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 26965519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).