N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide

C19H23N5O2S — CID 49189548

IUPACN-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1-n1cnnn1
InChIInChI=1S/C19H23N5O2S/c1-14-12-17(10-11-18(14)24-13-20-21-22-24)27(25,26)23(5)16-8-6-15(7-9-16)19(2,3)4/h6-13H,1-5H3
InChIKeyUNFFFGSLWWTBQP-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.09
Rot. Bonds4

About N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide

N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 49189548) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID49189548
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1-n1cnnn1
InChIInChI=1S/C19H23N5O2S/c1-14-12-17(10-11-18(14)24-13-20-21-22-24)27(25,26)23(5)16-8-6-15(7-9-16)19(2,3)4/h6-13H,1-5H3
InChIKeyUNFFFGSLWWTBQP-UHFFFAOYSA-N
XLogP3.09
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 23610585
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177024
N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177054
[3-(tetrazol-1-yl)phenyl] 4-tert-butylbenzenesulfonate
CID 26942777
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 6985976
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442048
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 167927034
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442053
N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
CID 28941396

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 49189548) is N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1-n1cnnn1.
What is the InChIKey of N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is UNFFFGSLWWTBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14-12-17(10-11-18(14)24-13-20-21-22-24)27(25,26)23(5)16-8-6-15(7-9-16)19(2,3)4/h6-13H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 49189548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).