cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide

C17H16N2O4S — CID 99638630

IUPACcis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-11(20)12-4-6-14(7-5-12)24(22,23)19-17(21)16-9-15(16)13-3-2-8-18-10-13/h2-8,10,15-16H,9H2,1H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyNKBMQZUUMJKLNE-HZPDHXFCSA-N
MW344.39 g/mol
LogP1.89
Rot. Bonds5

About cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 99638630) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID99638630
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Namecis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-11(20)12-4-6-14(7-5-12)24(22,23)19-17(21)16-9-15(16)13-3-2-8-18-10-13/h2-8,10,15-16H,9H2,1H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyNKBMQZUUMJKLNE-HZPDHXFCSA-N
XLogP1.89
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99638693
trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99630404
cis-(1S,2R)-N-isoquinolin-5-ylsulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99604975
N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123586966
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123896535
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 90135037
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 99638630) is cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide is CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1.
What is the InChIKey of cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is NKBMQZUUMJKLNE-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11(20)12-4-6-14(7-5-12)24(22,23)19-17(21)16-9-15(16)13-3-2-8-18-10-13/h2-8,10,15-16H,9H2,1H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 99638630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).