N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide

C22H22F2N4O4S2 — CID 91141043

IUPACN-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(N2CCNCC2)ccc1NS(=O)(=O)c1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C22H22F2N4O4S2/c23-18-7-4-8-21(22(18)24)34(31,32)26-19-10-9-16(28-13-11-25-12-14-28)15-20(19)27-33(29,30)17-5-2-1-3-6-17/h1-10,15,25-27H,11-14H2
InChIKeyWHFDSNRBXABRHB-UHFFFAOYSA-N
MW508.57 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide

N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide (PubChem CID 91141043) has the molecular formula C22H22F2N4O4S2 and a molecular weight of 508.57 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide
PubChem CID91141043
Molecular FormulaC22H22F2N4O4S2
Molecular Weight508.57 g/mol
Exact Mass508.11
IUPAC NameN-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(N2CCNCC2)ccc1NS(=O)(=O)c1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C22H22F2N4O4S2/c23-18-7-4-8-21(22(18)24)34(31,32)26-19-10-9-16(28-13-11-25-12-14-28)15-20(19)27-33(29,30)17-5-2-1-3-6-17/h1-10,15,25-27H,11-14H2
InChIKeyWHFDSNRBXABRHB-UHFFFAOYSA-N
XLogP2.98
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22272444
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 10166293
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide;hydrochloride
CID 10167912
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]naphthalene-2-sulfonamide;hydrochloride
CID 10231707
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-4-butoxybenzenesulfonamide;hydrochloride
CID 22272453
N-[2-[benzenesulfonyl(fluoro)amino]-5-piperazin-1-ylphenyl]benzenesulfonamide;hydrochloride
CID 174449060
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-4-methylbenzenesulfonamide;N-[5-(1,4-diazepan-1-yl)-2-(2-phenylethenylsulfonylamino)phenyl]benzenesulfonamide;dihydrochloride
CID 173224062
N-[2-(difluoromethoxy)phenyl]-3-piperazin-1-ylbenzenesulfonamide
CID 56654455
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-N,4-dimethylbenzenesulfonamide
CID 10143979
N-[2-[benzenesulfonyl(ethyl)amino]-4-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide;N-[5-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]benzenesulfonamide;dihydrochloride
CID 157177519
2-(benzenesulfonyl)-N-methyl-5-piperazin-1-ylaniline
CID 10131620

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide (CID 91141043) is N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide is O=S(=O)(Nc1cc(N2CCNCC2)ccc1NS(=O)(=O)c1cccc(F)c1F)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide?
The InChIKey is WHFDSNRBXABRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O4S2/c23-18-7-4-8-21(22(18)24)34(31,32)26-19-10-9-16(28-13-11-25-12-14-28)15-20(19)27-33(29,30)17-5-2-1-3-6-17/h1-10,15,25-27H,11-14H2.
What are the key properties of N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide?
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide has a molecular weight of 508.57 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 91141043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).