N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide

C15H21BrN2O3S — CID 108571108

IUPACN-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H21BrN2O3S/c16-13-6-8-14(9-7-13)22(20,21)18-11-10-17-15(19)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10-11H2,(H,17,19)
InChIKeyGVDMOROTPCUAOF-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide (PubChem CID 108571108) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
PubChem CID108571108
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H21BrN2O3S/c16-13-6-8-14(9-7-13)22(20,21)18-11-10-17-15(19)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10-11H2,(H,17,19)
InChIKeyGVDMOROTPCUAOF-UHFFFAOYSA-N
XLogP2.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672481
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
N-[2-[[4-(cyanomethyl)phenyl]sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115671890
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501
(3S)-1-[3-[(4-bromophenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830900
N-[2-(methanesulfonamido)ethyl]cyclopentanecarboxamide
CID 36904039
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide (CID 108571108) is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide is O=C(NCCNS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide?
The InChIKey is GVDMOROTPCUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c16-13-6-8-14(9-7-13)22(20,21)18-11-10-17-15(19)12-4-2-1-3-5-12/h6-9,12,18H,1-5,10-11H2,(H,17,19).
What are the key properties of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide?
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide has a molecular weight of 389.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 108571108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).