N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide

C14H17BrN2O3S — CID 90513463

IUPACN-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H17BrN2O3S/c1-9-6-11(15)2-5-13(9)16-14(18)10-7-17(8-10)21(19,20)12-3-4-12/h2,5-6,10,12H,3-4,7-8H2,1H3,(H,16,18)
InChIKeyFSBDVXDUDKTHFE-UHFFFAOYSA-N
MW373.27 g/mol
LogP2.12
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide

N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide (PubChem CID 90513463) has the molecular formula C14H17BrN2O3S and a molecular weight of 373.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
PubChem CID90513463
Molecular FormulaC14H17BrN2O3S
Molecular Weight373.27 g/mol
Exact Mass372.01
IUPAC NameN-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H17BrN2O3S/c1-9-6-11(15)2-5-13(9)16-14(18)10-7-17(8-10)21(19,20)12-3-4-12/h2,5-6,10,12H,3-4,7-8H2,1H3,(H,16,18)
InChIKeyFSBDVXDUDKTHFE-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide
CID 90513449
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
CID 90513450
1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
CID 110686178
N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513573
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
(2S)-N-(4-bromo-2-methylphenyl)oxetane-2-carboxamide
CID 97247026
N-(4-bromo-2-methylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110863036
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide (CID 90513463) is N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide is Cc1cc(Br)ccc1NC(=O)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide?
The InChIKey is FSBDVXDUDKTHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3S/c1-9-6-11(15)2-5-13(9)16-14(18)10-7-17(8-10)21(19,20)12-3-4-12/h2,5-6,10,12H,3-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide?
N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide has a molecular weight of 373.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).