N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide

C19H16BrClN2O2S — CID 139014984

IUPACN-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide
SMILESCN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C19H16BrClN2O2S/c1-23(26(24,25)17-12-7-13-22-19(17)21)18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)20/h2-13,18H,1H3
InChIKeyJVCGYLNSKNHOBN-UHFFFAOYSA-N
MW451.77 g/mol
LogP4.91
Rot. Bonds5

About N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide

N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide (PubChem CID 139014984) has the molecular formula C19H16BrClN2O2S and a molecular weight of 451.77 g/mol. Its IUPAC name is N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide
PubChem CID139014984
Molecular FormulaC19H16BrClN2O2S
Molecular Weight451.77 g/mol
Exact Mass449.98
IUPAC NameN-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide
SMILESCN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C19H16BrClN2O2S/c1-23(26(24,25)17-12-7-13-22-19(17)21)18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)20/h2-13,18H,1H3
InChIKeyJVCGYLNSKNHOBN-UHFFFAOYSA-N
XLogP4.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.77
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide (CID 139014984) is N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide is CN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide?
The InChIKey is JVCGYLNSKNHOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2S/c1-23(26(24,25)17-12-7-13-22-19(17)21)18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)20/h2-13,18H,1H3.
What are the key properties of N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide?
N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide has a molecular weight of 451.77 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 139014984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).