N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide

C14H13ClN4O3S — CID 1091853

IUPACN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide
SMILESCOc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl
InChIInChI=1S/C14H13ClN4O3S/c1-22-14-6-4-10(8-11(14)15)19-16-12-5-3-9(7-13(12)17-19)18-23(2,20)21/h3-8,18H,1-2H3
InChIKeyGKBSHHHDAPJWJO-UHFFFAOYSA-N
MW352.80 g/mol
LogP2.45
Rot. Bonds4

About N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide

N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide (PubChem CID 1091853) has the molecular formula C14H13ClN4O3S and a molecular weight of 352.80 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide
PubChem CID1091853
Molecular FormulaC14H13ClN4O3S
Molecular Weight352.80 g/mol
Exact Mass352.04
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide
SMILESCOc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl
InChIInChI=1S/C14H13ClN4O3S/c1-22-14-6-4-10(8-11(14)15)19-16-12-5-3-9(7-13(12)17-19)18-23(2,20)21/h3-8,18H,1-2H3
InChIKeyGKBSHHHDAPJWJO-UHFFFAOYSA-N
XLogP2.45
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 17220209
2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220198
5-[[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168538677
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
CID 21229425
2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220188
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291
N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169372023
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-(2-fluorophenoxy)acetamide
CID 17220308
N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodobenzamide
CID 1016818
4-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093951
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide (CID 1091853) is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide is COc1ccc(-n2nc3ccc(NS(C)(=O)=O)cc3n2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide?
The InChIKey is GKBSHHHDAPJWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3S/c1-22-14-6-4-10(8-11(14)15)19-16-12-5-3-9(7-13(12)17-19)18-23(2,20)21/h3-8,18H,1-2H3.
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide?
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide has a molecular weight of 352.80 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide is sourced from PubChem (CID 1091853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).