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

C14H10ClF2N5O3S — CID 39827496

IUPAC3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H10ClF2N5O3S/c15-12-7-11(5-6-13(12)25-14(16)17)26(23,24)19-9-1-3-10(4-2-9)22-8-18-20-21-22/h1-8,14,19H
InChIKeyOUDQZNSLKZZYMO-UHFFFAOYSA-N
MW401.78 g/mol
LogP2.72
Rot. Bonds6

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

3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 39827496) has the molecular formula C14H10ClF2N5O3S and a molecular weight of 401.78 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID39827496
Molecular FormulaC14H10ClF2N5O3S
Molecular Weight401.78 g/mol
Exact Mass401.02
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H10ClF2N5O3S/c15-12-7-11(5-6-13(12)25-14(16)17)26(23,24)19-9-1-3-10(4-2-9)22-8-18-20-21-22/h1-8,14,19H
InChIKeyOUDQZNSLKZZYMO-UHFFFAOYSA-N
XLogP2.72
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827484
N-[4-(tetrazol-1-yl)phenyl]naphthalene-2-sulfonamide
CID 2467029
4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 39829528
N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 166204102
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 7042585
3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 2466269
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 36513836
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
3-chloro-N-(4-cyano-1,5-dimethylpyrazol-3-yl)-4-(difluoromethoxy)benzenesulfonamide
CID 167957192
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 39827496) is 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is OUDQZNSLKZZYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5O3S/c15-12-7-11(5-6-13(12)25-14(16)17)26(23,24)19-9-1-3-10(4-2-9)22-8-18-20-21-22/h1-8,14,19H.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 401.78 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39827496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).