N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide

C13H16ClN5O2S — CID 146149585

IUPACN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide
SMILESCn1nnc(S(=O)(=O)NC(c2ccc(Cl)cc2)C2CCC2)n1
InChIInChI=1S/C13H16ClN5O2S/c1-19-16-13(15-18-19)22(20,21)17-12(9-3-2-4-9)10-5-7-11(14)8-6-10/h5-9,12,17H,2-4H2,1H3
InChIKeyBBATULKGJRSQCW-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.68
Rot. Bonds5

About N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide

N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide (PubChem CID 146149585) has the molecular formula C13H16ClN5O2S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide
PubChem CID146149585
Molecular FormulaC13H16ClN5O2S
Molecular Weight341.82 g/mol
Exact Mass341.07
IUPAC NameN-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide
SMILESCn1nnc(S(=O)(=O)NC(c2ccc(Cl)cc2)C2CCC2)n1
InChIInChI=1S/C13H16ClN5O2S/c1-19-16-13(15-18-19)22(20,21)17-12(9-3-2-4-9)10-5-7-11(14)8-6-10/h5-9,12,17H,2-4H2,1H3
InChIKeyBBATULKGJRSQCW-UHFFFAOYSA-N
XLogP1.68
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862228
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
CID 97260672
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-methylpyrazole-3-sulfonamide
CID 127879522
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957064
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide
CID 51249164
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide (CID 146149585) is N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide is Cn1nnc(S(=O)(=O)NC(c2ccc(Cl)cc2)C2CCC2)n1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide?
The InChIKey is BBATULKGJRSQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2S/c1-19-16-13(15-18-19)22(20,21)17-12(9-3-2-4-9)10-5-7-11(14)8-6-10/h5-9,12,17H,2-4H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide?
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide has a molecular weight of 341.82 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyltetrazole-5-sulfonamide is sourced from PubChem (CID 146149585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).