N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide

C22H28N4O5S2 — CID 30832859

IUPACN-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C22H28N4O5S2/c1-18-4-8-20(9-5-18)23-32(28,29)21-10-6-19(7-11-21)22(27)24-14-16-26(17-15-24)33(30,31)25-12-2-3-13-25/h4-11,23H,2-3,12-17H2,1H3
InChIKeyDNDJBCUGJRTTFU-UHFFFAOYSA-N
MW492.62 g/mol
LogP1.89
Rot. Bonds6

About N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide

N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 30832859) has the molecular formula C22H28N4O5S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID30832859
Molecular FormulaC22H28N4O5S2
Molecular Weight492.62 g/mol
Exact Mass492.15
IUPAC NameN-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C22H28N4O5S2/c1-18-4-8-20(9-5-18)23-32(28,29)21-10-6-19(7-11-21)22(27)24-14-16-26(17-15-24)33(30,31)25-12-2-3-13-25/h4-11,23H,2-3,12-17H2,1H3
InChIKeyDNDJBCUGJRTTFU-UHFFFAOYSA-N
XLogP1.89
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
N-(4-methylphenyl)-4-(2-oxo-1,7-diazaspiro[3.5]nonane-7-carbonyl)benzenesulfonamide
CID 51127963
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 119541041
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
N-cyclopentyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146062956

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide (CID 30832859) is N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)N4CCCC4)CC3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is DNDJBCUGJRTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S2/c1-18-4-8-20(9-5-18)23-32(28,29)21-10-6-19(7-11-21)22(27)24-14-16-26(17-15-24)33(30,31)25-12-2-3-13-25/h4-11,23H,2-3,12-17H2,1H3.
What are the key properties of N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide?
N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 492.62 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 30832859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).