(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide

C19H22ClN3O5S2 — CID 55942709

IUPAC(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22ClN3O5S2/c1-14(22-29(25,26)16-7-3-2-4-8-16)19(24)21-15-9-10-17(20)18(13-15)30(27,28)23-11-5-6-12-23/h2-4,7-10,13-14,22H,5-6,11-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyYYEWZJOCTZXDJJ-AWEZNQCLSA-N
MW471.99 g/mol
LogP2.43
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide

(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55942709) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID55942709
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H22ClN3O5S2/c1-14(22-29(25,26)16-7-3-2-4-8-16)19(24)21-15-9-10-17(20)18(13-15)30(27,28)23-11-5-6-12-23/h2-4,7-10,13-14,22H,5-6,11-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyYYEWZJOCTZXDJJ-AWEZNQCLSA-N
XLogP2.43
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56538260
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 112789663
[(2S)-1-anilino-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513774
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 43009352
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
CID 9103361
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
(2S)-2-(benzenesulfonamido)-N-(3-chloro-2-methylphenyl)propanamide
CID 41330887
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 16546118

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 55942709) is (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is YYEWZJOCTZXDJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClN3O5S2/c1-14(22-29(25,26)16-7-3-2-4-8-16)19(24)21-15-9-10-17(20)18(13-15)30(27,28)23-11-5-6-12-23/h2-4,7-10,13-14,22H,5-6,11-12H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 471.99 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55942709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).