N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide

C16H18Cl2N2O2S — CID 112980530

IUPACN-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H18Cl2N2O2S/c1-3-11(2)19-12-4-6-13(7-5-12)20-23(21,22)14-8-9-15(17)16(18)10-14/h4-11,19-20H,3H2,1-2H3
InChIKeyPBQDYHVCAUPUQU-UHFFFAOYSA-N
MW373.31 g/mol
LogP5.00
Rot. Bonds6

About N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide

N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide (PubChem CID 112980530) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
PubChem CID112980530
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
SMILESCCC(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H18Cl2N2O2S/c1-3-11(2)19-12-4-6-13(7-5-12)20-23(21,22)14-8-9-15(17)16(18)10-14/h4-11,19-20H,3H2,1-2H3
InChIKeyPBQDYHVCAUPUQU-UHFFFAOYSA-N
XLogP5.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.31
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide
CID 138631823
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
4-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 18154799
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009808
3,4-dichloro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 41247187
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide (CID 112980530) is N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide is CCC(C)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide?
The InChIKey is PBQDYHVCAUPUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-3-11(2)19-12-4-6-13(7-5-12)20-23(21,22)14-8-9-15(17)16(18)10-14/h4-11,19-20H,3H2,1-2H3.
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide?
N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide has a molecular weight of 373.31 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 112980530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).