(4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C13H15N3O3S2 — CID 97223986

IUPAC(4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCc3[nH]ncc32)s1
InChIInChI=1S/C13H15N3O3S2/c1-8-5-6-12(20-8)21(18,19)16-13(17)9-3-2-4-11-10(9)7-14-15-11/h5-7,9H,2-4H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeySKZVTSJHKRRXTL-VIFPVBQESA-N
MW325.42 g/mol
LogP1.70
Rot. Bonds3

About (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

(4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 97223986) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID97223986
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC Name(4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCc3[nH]ncc32)s1
InChIInChI=1S/C13H15N3O3S2/c1-8-5-6-12(20-8)21(18,19)16-13(17)9-3-2-4-11-10(9)7-14-15-11/h5-7,9H,2-4H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeySKZVTSJHKRRXTL-VIFPVBQESA-N
XLogP1.70
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 102391409
(4S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 124576290
N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 154839250
(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 99782658
N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 127458146
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
N-cyclopentyl-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112990935
2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 97223987
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 154746273

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 97223986) is (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCc3[nH]ncc32)s1.
What is the InChIKey of (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is SKZVTSJHKRRXTL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-8-5-6-12(20-8)21(18,19)16-13(17)9-3-2-4-11-10(9)7-14-15-11/h5-7,9H,2-4H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
(4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(5-methylthiophen-2-yl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 97223986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).