N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide

C11H14ClN5O2S — CID 62756131

IUPACN-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCn1cc(CNc2cc(NS(C)(=O)=O)ccc2Cl)nn1
InChIInChI=1S/C11H14ClN5O2S/c1-17-7-9(14-16-17)6-13-11-5-8(3-4-10(11)12)15-20(2,18)19/h3-5,7,13,15H,6H2,1-2H3
InChIKeyGWBBPSVJCUAZHV-UHFFFAOYSA-N
MW315.79 g/mol
LogP1.45
Rot. Bonds5

About N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide

N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 62756131) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide
PubChem CID62756131
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC NameN-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCn1cc(CNc2cc(NS(C)(=O)=O)ccc2Cl)nn1
InChIInChI=1S/C11H14ClN5O2S/c1-17-7-9(14-16-17)6-13-11-5-8(3-4-10(11)12)15-20(2,18)19/h3-5,7,13,15H,6H2,1-2H3
InChIKeyGWBBPSVJCUAZHV-UHFFFAOYSA-N
XLogP1.45
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide (CID 62756131) is N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide is Cn1cc(CNc2cc(NS(C)(=O)=O)ccc2Cl)nn1.
What is the InChIKey of N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is GWBBPSVJCUAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-17-7-9(14-16-17)6-13-11-5-8(3-4-10(11)12)15-20(2,18)19/h3-5,7,13,15H,6H2,1-2H3.
What are the key properties of N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide?
N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 315.79 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 62756131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).