N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide

C15H18N4O3S — CID 71967758

IUPACN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C15H18N4O3S/c1-19-9-13(8-17-19)23(21,22)18-12(10-20)6-11-7-16-15-5-3-2-4-14(11)15/h2-5,7-9,12,16,18,20H,6,10H2,1H3
InChIKeyLJDSQPTULCFBAM-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.78
Rot. Bonds6

About N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71967758) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID71967758
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C15H18N4O3S/c1-19-9-13(8-17-19)23(21,22)18-12(10-20)6-11-7-16-15-5-3-2-4-14(11)15/h2-5,7-9,12,16,18,20H,6,10H2,1H3
InChIKeyLJDSQPTULCFBAM-UHFFFAOYSA-N
XLogP0.78
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-3-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 10044812
5-chloro-N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507637
3-(1H-indol-3-yl)-2-(2-methyl-2,3-dihydro-1H-25-isoindol-2-yl)-1-propanol benzenesulfonate
CID 5351675
1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide
CID 71911341
N-(1-ethylpyrazol-4-yl)sulfonyl-3-(1H-indol-3-yl)propanamide
CID 71978364
1-(1-ethylpyrazol-4-yl)-3-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 72145309
5-fluoro-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide
CID 75431306
benzenesulfonic acid;(2S)-3-(1H-indol-3-yl)-2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propan-1-ol
CID 3246067
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257
1-ethyl-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 56876604
N-[(cis-3-hydroxycyclobutyl)(quinolin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 91792904
4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide
CID 99844417

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide (CID 71967758) is N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)cn1.
What is the InChIKey of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is LJDSQPTULCFBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-19-9-13(8-17-19)23(21,22)18-12(10-20)6-11-7-16-15-5-3-2-4-14(11)15/h2-5,7-9,12,16,18,20H,6,10H2,1H3.
What are the key properties of N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide?
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71967758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).