4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide

C17H20N2O4S2 — CID 1010632

IUPAC4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-14-4-8-16(9-5-14)24(20,21)18-15-6-10-17(11-7-15)25(22,23)19-12-2-3-13-19/h4-11,18H,2-3,12-13H2,1H3
InChIKeyQDJSDHKFEAZPII-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.58
Rot. Bonds5

About 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide

4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1010632) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1010632
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-14-4-8-16(9-5-14)24(20,21)18-15-6-10-17(11-7-15)25(22,23)19-12-2-3-13-19/h4-11,18H,2-3,12-13H2,1H3
InChIKeyQDJSDHKFEAZPII-UHFFFAOYSA-N
XLogP2.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
Sulfatolamide
CID 3034019
N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
4-[[(4-Aminophenyl)sulfonylamino]methyl]benzenesulfonamide
CID 4422372
4-[2-[(4-Aminophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 9998322
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
N,N'-1,4-Phenylenebis[4-methylbenzenesulfonamide]
CID 98695
N-Ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 74568
4-((4-Benzylpiperidin-1-yl)sulfonyl)aniline
CID 2115228
4-tert-butyl-N-(4-sulfamoylphenyl)benzene-1-sulfonamide
CID 3683067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 1010632) is 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is QDJSDHKFEAZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-14-4-8-16(9-5-14)24(20,21)18-15-6-10-17(11-7-15)25(22,23)19-12-2-3-13-19/h4-11,18H,2-3,12-13H2,1H3.
What are the key properties of 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1010632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).