1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide

C17H19ClN2O4S2 — CID 17257615

IUPAC1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H19ClN2O4S2/c18-17-6-2-1-5-14(17)13-25(21,22)19-15-7-9-16(10-8-15)26(23,24)20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-13H2
InChIKeyDFEWQUQJDANDIH-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.07
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide

1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide (PubChem CID 17257615) has the molecular formula C17H19ClN2O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
PubChem CID17257615
Molecular FormulaC17H19ClN2O4S2
Molecular Weight414.94 g/mol
Exact Mass414.05
IUPAC Name1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H19ClN2O4S2/c18-17-6-2-1-5-14(17)13-25(21,22)19-15-7-9-16(10-8-15)26(23,24)20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-13H2
InChIKeyDFEWQUQJDANDIH-UHFFFAOYSA-N
XLogP3.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
N-(4-acetylphenyl)-1-(2-chlorophenyl)methanesulfonamide
CID 3991135
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696858
1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637339
N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826359
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-2-fluorobenzenesulfonamide
CID 60532477
1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
CID 17312255
2-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]phenyl]acetic acid
CID 45473270
N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9281567

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide (CID 17257615) is 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
The InChIKey is DFEWQUQJDANDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S2/c18-17-6-2-1-5-14(17)13-25(21,22)19-15-7-9-16(10-8-15)26(23,24)20-11-3-4-12-20/h1-2,5-10,19H,3-4,11-13H2.
What are the key properties of 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide has a molecular weight of 414.94 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 17257615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).