N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide

C21H24FN3O3S — CID 41256126

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(N[C@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-7-4-8-19(15-18)29(27,28)25-13-11-24(12-14-25)21(26)23-20(17-9-10-17)16-5-2-1-3-6-16/h1-8,15,17,20H,9-14H2,(H,23,26)/t20-/m1/s1
InChIKeyQVBPNMHNHKVSFC-HXUWFJFHSA-N
MW417.51 g/mol
LogP2.99
Rot. Bonds5

About N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide

N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 41256126) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID41256126
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(N[C@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-7-4-8-19(15-18)29(27,28)25-13-11-24(12-14-25)21(26)23-20(17-9-10-17)16-5-2-1-3-6-16/h1-8,15,17,20H,9-14H2,(H,23,26)/t20-/m1/s1
InChIKeyQVBPNMHNHKVSFC-HXUWFJFHSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 42934750
4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 41256143
4-(benzenesulfonyl)-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]piperazine-1-carboxamide
CID 41200236
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 41015961
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 4820420
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9369509
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27868228
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 41214790

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide (CID 41256126) is N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide is O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is QVBPNMHNHKVSFC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-18-7-4-8-19(15-18)29(27,28)25-13-11-24(12-14-25)21(26)23-20(17-9-10-17)16-5-2-1-3-6-16/h1-8,15,17,20H,9-14H2,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 41256126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).