N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide

C14H17N3O3S — CID 102691804

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccn[nH]2)C2CC2)cc1
InChIInChI=1S/C14H17N3O3S/c1-20-12-6-4-11(5-7-12)14(10-2-3-10)17-21(18,19)13-8-9-15-16-13/h4-10,14,17H,2-3H2,1H3,(H,15,16)
InChIKeyMALJBDRCUMEPRA-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.85
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691804) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691804
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccn[nH]2)C2CC2)cc1
InChIInChI=1S/C14H17N3O3S/c1-20-12-6-4-11(5-7-12)14(10-2-3-10)17-21(18,19)13-8-9-15-16-13/h4-10,14,17H,2-3H2,1H3,(H,15,16)
InChIKeyMALJBDRCUMEPRA-UHFFFAOYSA-N
XLogP1.85
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51927549
2-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanesulfonamide
CID 107650887
N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134017722
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691931
N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691140
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692966
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281955

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide (CID 102691804) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide is COc1ccc(C(NS(=O)(=O)c2ccn[nH]2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is MALJBDRCUMEPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-12-6-4-11(5-7-12)14(10-2-3-10)17-21(18,19)13-8-9-15-16-13/h4-10,14,17H,2-3H2,1H3,(H,15,16).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).