N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide

C18H18BrN3O2S — CID 139015010

IUPACN-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide
SMILESCN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccn(C)n1
InChIInChI=1S/C18H18BrN3O2S/c1-21-13-12-17(20-21)25(23,24)22(2)18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)19/h3-13,18H,1-2H3
InChIKeyIUBVOKSJCJOWMO-UHFFFAOYSA-N
MW420.33 g/mol
LogP3.59
Rot. Bonds5

About N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide

N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide (PubChem CID 139015010) has the molecular formula C18H18BrN3O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide
PubChem CID139015010
Molecular FormulaC18H18BrN3O2S
Molecular Weight420.33 g/mol
Exact Mass419.03
IUPAC NameN-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide
SMILESCN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccn(C)n1
InChIInChI=1S/C18H18BrN3O2S/c1-21-13-12-17(20-21)25(23,24)22(2)18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)19/h3-13,18H,1-2H3
InChIKeyIUBVOKSJCJOWMO-UHFFFAOYSA-N
XLogP3.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide (CID 139015010) is N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide is CN(C(c1ccccc1)c1ccccc1Br)S(=O)(=O)c1ccn(C)n1.
What is the InChIKey of N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide?
The InChIKey is IUBVOKSJCJOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2S/c1-21-13-12-17(20-21)25(23,24)22(2)18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)19/h3-13,18H,1-2H3.
What are the key properties of N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide?
N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide has a molecular weight of 420.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-phenylmethyl]-N,1-dimethylpyrazole-3-sulfonamide is sourced from PubChem (CID 139015010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).