3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide

C14H12ClN5O3S — CID 39827484

IUPAC3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1Cl
InChIInChI=1S/C14H12ClN5O3S/c1-23-14-7-6-12(8-13(14)15)24(21,22)17-10-2-4-11(5-3-10)20-9-16-18-19-20/h2-9,17H,1H3
InChIKeySUBDSHCAUVOJKE-UHFFFAOYSA-N
MW365.80 g/mol
LogP2.13
Rot. Bonds5

About 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide

3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 39827484) has the molecular formula C14H12ClN5O3S and a molecular weight of 365.80 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID39827484
Molecular FormulaC14H12ClN5O3S
Molecular Weight365.80 g/mol
Exact Mass365.03
IUPAC Name3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1Cl
InChIInChI=1S/C14H12ClN5O3S/c1-23-14-7-6-12(8-13(14)15)24(21,22)17-10-2-4-11(5-3-10)20-9-16-18-19-20/h2-9,17H,1H3
InChIKeySUBDSHCAUVOJKE-UHFFFAOYSA-N
XLogP2.13
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827496
N-[4-(tetrazol-1-yl)phenyl]naphthalene-2-sulfonamide
CID 2467029
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 7042585
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 166204102
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-chloro-N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 2975219
3-chloro-4-methoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 99967101
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 39827484) is 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is SUBDSHCAUVOJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O3S/c1-23-14-7-6-12(8-13(14)15)24(21,22)17-10-2-4-11(5-3-10)20-9-16-18-19-20/h2-9,17H,1H3.
What are the key properties of 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 365.80 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39827484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).