N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide

C8H13ClN4O2S — CID 106315126

IUPACN-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C8H13ClN4O2S/c1-13-8(7(9)4-11-13)16(14,15)12-6-2-5(10)3-6/h4-6,12H,2-3,10H2,1H3
InChIKeyMAWVBUKBYBYEAM-UHFFFAOYSA-N
MW264.74 g/mol
LogP-0.16
Rot. Bonds3

About N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide

N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide (PubChem CID 106315126) has the molecular formula C8H13ClN4O2S and a molecular weight of 264.74 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide
PubChem CID106315126
Molecular FormulaC8H13ClN4O2S
Molecular Weight264.74 g/mol
Exact Mass264.04
IUPAC NameN-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NC1CC(N)C1
InChIInChI=1S/C8H13ClN4O2S/c1-13-8(7(9)4-11-13)16(14,15)12-6-2-5(10)3-6/h4-6,12H,2-3,10H2,1H3
InChIKeyMAWVBUKBYBYEAM-UHFFFAOYSA-N
XLogP-0.16
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The IUPAC name of N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide (CID 106315126) is N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NC1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
The InChIKey is MAWVBUKBYBYEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2S/c1-13-8(7(9)4-11-13)16(14,15)12-6-2-5(10)3-6/h4-6,12H,2-3,10H2,1H3.
What are the key properties of N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide?
N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide has a molecular weight of 264.74 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-4-chloro-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106315126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).