N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide

C15H14ClN5O3S — CID 24792330

IUPACN-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1-n1cnnn1
InChIInChI=1S/C15H14ClN5O3S/c1-24-15-8-12(6-7-14(15)21-10-17-19-20-21)25(22,23)18-9-11-4-2-3-5-13(11)16/h2-8,10,18H,9H2,1H3
InChIKeyCVPSGOMZOLLARP-UHFFFAOYSA-N
MW379.83 g/mol
LogP1.80
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide

N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 24792330) has the molecular formula C15H14ClN5O3S and a molecular weight of 379.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID24792330
Molecular FormulaC15H14ClN5O3S
Molecular Weight379.83 g/mol
Exact Mass379.05
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1-n1cnnn1
InChIInChI=1S/C15H14ClN5O3S/c1-24-15-8-12(6-7-14(15)21-10-17-19-20-21)25(22,23)18-9-11-4-2-3-5-13(11)16/h2-8,10,18H,9H2,1H3
InChIKeyCVPSGOMZOLLARP-UHFFFAOYSA-N
XLogP1.80
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (CID 24792330) is N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is COc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1-n1cnnn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is CVPSGOMZOLLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O3S/c1-24-15-8-12(6-7-14(15)21-10-17-19-20-21)25(22,23)18-9-11-4-2-3-5-13(11)16/h2-8,10,18H,9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 379.83 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 24792330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).