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

C22H20ClN5O3S — CID 1177003

IUPACN-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2Cl)ccc1-n1cnnn1
InChIInChI=1S/C22H20ClN5O3S/c1-31-22-13-19(11-12-21(22)28-16-24-25-26-28)32(29,30)27(14-17-7-3-2-4-8-17)15-18-9-5-6-10-20(18)23/h2-13,16H,14-15H2,1H3
InChIKeySHHGZXWGVRUDQN-UHFFFAOYSA-N
MW469.95 g/mol
LogP3.72
Rot. Bonds8

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

N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1177003) has the molecular formula C22H20ClN5O3S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1177003
Molecular FormulaC22H20ClN5O3S
Molecular Weight469.95 g/mol
Exact Mass469.10
IUPAC NameN-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2Cl)ccc1-n1cnnn1
InChIInChI=1S/C22H20ClN5O3S/c1-31-22-13-19(11-12-21(22)28-16-24-25-26-28)32(29,30)27(14-17-7-3-2-4-8-17)15-18-9-5-6-10-20(18)23/h2-13,16H,14-15H2,1H3
InChIKeySHHGZXWGVRUDQN-UHFFFAOYSA-N
XLogP3.72
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1429001
N-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
CID 1451987
N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177054
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 3189971
1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylazepane
CID 858983
N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177052
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide
CID 2695360
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
5-chloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55774066
N-(2,6-dimethylphenyl)-2-[[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 25409293
N-[(2-chlorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 78768535

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (CID 1177003) is N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is COc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2Cl)ccc1-n1cnnn1.
What is the InChIKey of N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is SHHGZXWGVRUDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3S/c1-31-22-13-19(11-12-21(22)28-16-24-25-26-28)32(29,30)27(14-17-7-3-2-4-8-17)15-18-9-5-6-10-20(18)23/h2-13,16H,14-15H2,1H3.
What are the key properties of N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 469.95 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2-chlorophenyl)methyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1177003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).