N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide

C18H19NO3S — CID 101151351

IUPACN-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](C1C=CC=C1)[C@@H](O)C1C=CC=C1)c1ccccc1
InChIInChI=1S/C18H19NO3S/c20-18(15-10-6-7-11-15)17(14-8-4-5-9-14)19-23(21,22)16-12-2-1-3-13-16/h1-15,17-20H/t17-,18+/m1/s1
InChIKeyCBXRAZYUYZCBQO-MSOLQXFVSA-N
MW329.42 g/mol
LogP2.18
Rot. Bonds6

About N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide

N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide (PubChem CID 101151351) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide
PubChem CID101151351
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](C1C=CC=C1)[C@@H](O)C1C=CC=C1)c1ccccc1
InChIInChI=1S/C18H19NO3S/c20-18(15-10-6-7-11-15)17(14-8-4-5-9-14)19-23(21,22)16-12-2-1-3-13-16/h1-15,17-20H/t17-,18+/m1/s1
InChIKeyCBXRAZYUYZCBQO-MSOLQXFVSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide 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-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]-4-methylbenzenesulfonamide
CID 101151352
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
[benzenesulfonamido(phosphono)methyl]phosphonic acid
CID 10068042
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 22975704
methyl 3-(benzenesulfonamido)-3-hydroxypropanoate
CID 67140926

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide?
The IUPAC name of N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide (CID 101151351) is N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide is O=S(=O)(N[C@H](C1C=CC=C1)[C@@H](O)C1C=CC=C1)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide?
The InChIKey is CBXRAZYUYZCBQO-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-18(15-10-6-7-11-15)17(14-8-4-5-9-14)19-23(21,22)16-12-2-1-3-13-16/h1-15,17-20H/t17-,18+/m1/s1.
What are the key properties of N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide?
N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1,2-di(cyclopenta-2,4-dien-1-yl)-2-hydroxyethyl]benzenesulfonamide is sourced from PubChem (CID 101151351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).