N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide

C14H13BrN2O3S — CID 156859682

IUPACN-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide
SMILESCOc1ccc(NC=O)cc1S(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-20-13-7-6-12(16-9-18)8-14(13)21(19)17-11-4-2-10(15)3-5-11/h2-9,17H,1H3,(H,16,18)
InChIKeyPVDOHGZGIBFTJE-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.16
Rot. Bonds6

About N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide

N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide (PubChem CID 156859682) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide
PubChem CID156859682
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide
SMILESCOc1ccc(NC=O)cc1S(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-20-13-7-6-12(16-9-18)8-14(13)21(19)17-11-4-2-10(15)3-5-11/h2-9,17H,1H3,(H,16,18)
InChIKeyPVDOHGZGIBFTJE-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)formamide;methane
CID 163289567
N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]-2-(2-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 168786275
5-bromo-N-(2-chloroethyl)-2-methoxybenzenesulfinamide
CID 169108082
4-bromo-1-methoxy-2-[(S)-methylsulfinyl]benzene
CID 165396744
2-methoxy-5-(sulfinoamino)benzenesulfinic acid
CID 152789365
sodium 5-bromo-2-methoxybenzenesulfinate
CID 67162120
N-(4-bromo-3-ethoxyphenyl)formamide
CID 143337973
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide
CID 168650887
(4-bromoanilino) 3,4-dimethoxybenzoate
CID 12916142
2-(4-bromoanilino)-2-(5-bromo-2-methoxyphenyl)acetonitrile
CID 60988043
5-bromo-N-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)sulfinylamino]benzamide
CID 141030476

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide?
The IUPAC name of N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide (CID 156859682) is N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide.
What is the SMILES notation for N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide?
The canonical SMILES for N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide is COc1ccc(NC=O)cc1S(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide?
The InChIKey is PVDOHGZGIBFTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-20-13-7-6-12(16-9-18)8-14(13)21(19)17-11-4-2-10(15)3-5-11/h2-9,17H,1H3,(H,16,18).
What are the key properties of N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide?
N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide has a molecular weight of 369.24 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)sulfinamoyl-4-methoxyphenyl]formamide is sourced from PubChem (CID 156859682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).