(2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

C19H16BrClN4O3S2 — CID 98421946

IUPAC(2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16BrClN4O3S2/c20-13-4-1-3-12(11-13)18-23-24-19(29-18)22-17(26)16-5-2-10-25(16)30(27,28)15-8-6-14(21)7-9-15/h1,3-4,6-9,11,16H,2,5,10H2,(H,22,24,26)/t16-/m1/s1
InChIKeyLXVZFCMCEFHRPY-MRXNPFEDSA-N
MW527.85 g/mol
LogP4.41
Rot. Bonds5

About (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 98421946) has the molecular formula C19H16BrClN4O3S2 and a molecular weight of 527.85 g/mol. Its IUPAC name is (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID98421946
Molecular FormulaC19H16BrClN4O3S2
Molecular Weight527.85 g/mol
Exact Mass525.95
IUPAC Name(2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16BrClN4O3S2/c20-13-4-1-3-12(11-13)18-23-24-19(29-18)22-17(26)16-5-2-10-25(16)30(27,28)15-8-6-14(21)7-9-15/h1,3-4,6-9,11,16H,2,5,10H2,(H,22,24,26)/t16-/m1/s1
InChIKeyLXVZFCMCEFHRPY-MRXNPFEDSA-N
XLogP4.41
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
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CID 93046580
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
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(2S)-1-(4-chlorophenyl)sulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
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1-N-(3-bromophenyl)-2-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 42758156
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CID 42662418
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CID 100529228
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N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
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(2R)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124526137
(2R)-1-(4-methoxyphenyl)sulfonyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
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1-(4-chlorophenyl)sulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 98421946) is (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is LXVZFCMCEFHRPY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16BrClN4O3S2/c20-13-4-1-3-12(11-13)18-23-24-19(29-18)22-17(26)16-5-2-10-25(16)30(27,28)15-8-6-14(21)7-9-15/h1,3-4,6-9,11,16H,2,5,10H2,(H,22,24,26)/t16-/m1/s1.
What are the key properties of (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 527.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 98421946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).