2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide

C14H19BrN2O3S — CID 1329651

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
SMILESCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3S/c1-17(10-14(18)16-12-4-2-3-5-12)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,2-5,10H2,1H3,(H,16,18)
InChIKeyLZZKRCXQTWADPY-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.13
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide (PubChem CID 1329651) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
PubChem CID1329651
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
SMILESCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3S/c1-17(10-14(18)16-12-4-2-3-5-12)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,2-5,10H2,1H3,(H,16,18)
InChIKeyLZZKRCXQTWADPY-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide (CID 1329651) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide is CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide?
The InChIKey is LZZKRCXQTWADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-17(10-14(18)16-12-4-2-3-5-12)21(19,20)13-8-6-11(15)7-9-13/h6-9,12H,2-5,10H2,1H3,(H,16,18).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide has a molecular weight of 375.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 1329651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).