(2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide

C15H22ClN3O3S — CID 56708275

IUPAC(2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)cc1Cl
InChIInChI=1S/C15H22ClN3O3S/c1-9(2)18-15(20)14-6-11(17)8-19(14)23(21,22)12-5-4-10(3)13(16)7-12/h4-5,7,9,11,14H,6,8,17H2,1-3H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyQZXIQAZIWHLSFN-FZMZJTMJSA-N
MW359.88 g/mol
LogP1.26
Rot. Bonds4

About (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56708275) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56708275
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name(2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)cc1Cl
InChIInChI=1S/C15H22ClN3O3S/c1-9(2)18-15(20)14-6-11(17)8-19(14)23(21,22)12-5-4-10(3)13(16)7-12/h4-5,7,9,11,14H,6,8,17H2,1-3H3,(H,18,20)/t11-,14-/m0/s1
InChIKeyQZXIQAZIWHLSFN-FZMZJTMJSA-N
XLogP1.26
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-amino-1-(3,4-dimethylbenzoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713460
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CID 119988761
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
2-[[(4S)-4-amino-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 57241918
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1456847
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740254
(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56708275) is (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)cc1Cl.
What is the InChIKey of (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is QZXIQAZIWHLSFN-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-9(2)18-15(20)14-6-11(17)8-19(14)23(21,22)12-5-4-10(3)13(16)7-12/h4-5,7,9,11,14H,6,8,17H2,1-3H3,(H,18,20)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(3-chloro-4-methylphenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56708275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).