4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide

C21H24BrN3O3S — CID 41256143

IUPAC4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C21H24BrN3O3S/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-/m0/s1
InChIKeyCPVQKECBSVDLEK-FQEVSTJZSA-N
MW478.41 g/mol
LogP3.62
Rot. Bonds5

About 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide

4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide (PubChem CID 41256143) has the molecular formula C21H24BrN3O3S and a molecular weight of 478.41 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
PubChem CID41256143
Molecular FormulaC21H24BrN3O3S
Molecular Weight478.41 g/mol
Exact Mass477.07
IUPAC Name4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C21H24BrN3O3S/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-/m0/s1
InChIKeyCPVQKECBSVDLEK-FQEVSTJZSA-N
XLogP3.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 41256126
4-(benzenesulfonyl)-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]piperazine-1-carboxamide
CID 41200236
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 42934750
4-(3-bromophenyl)sulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 27534090
4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534495
N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55634596
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 41015961
4-(benzenesulfonyl)-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 60601958
1-(benzenesulfonyl)-N-[1-(3-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43872998
4-(3-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 27868289
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 42934746

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide (CID 41256143) is 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide is O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide?
The InChIKey is CPVQKECBSVDLEK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24BrN3O3S/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-/m0/s1.
What are the key properties of 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide?
4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide has a molecular weight of 478.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 41256143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).