N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide

C13H17N5O3S — CID 124845298

IUPACN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2nnnn2C2CC2)cc1
InChIInChI=1S/C13H17N5O3S/c1-9(13-14-16-17-18(13)10-3-4-10)15-22(19,20)12-7-5-11(21-2)6-8-12/h5-10,15H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyHKUYISKZEIDXOV-SECBINFHSA-N
MW323.38 g/mol
LogP1.06
Rot. Bonds6

About N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide

N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 124845298) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID124845298
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2nnnn2C2CC2)cc1
InChIInChI=1S/C13H17N5O3S/c1-9(13-14-16-17-18(13)10-3-4-10)15-22(19,20)12-7-5-11(21-2)6-8-12/h5-10,15H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyHKUYISKZEIDXOV-SECBINFHSA-N
XLogP1.06
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-(3-methylbutoxy)benzenesulfonamide
CID 124849969
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
CID 3777246
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124744204
N'-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 23824354
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole
CID 99859193
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
CID 114294306

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide (CID 124845298) is N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C)c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is HKUYISKZEIDXOV-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-9(13-14-16-17-18(13)10-3-4-10)15-22(19,20)12-7-5-11(21-2)6-8-12/h5-10,15H,3-4H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide?
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 323.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 124845298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).