N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C16H22ClN3O3S — CID 100697642

IUPACN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCC[C@@H](O)c2cccc(Cl)c2)cn1C
InChIInChI=1S/C16H22ClN3O3S/c1-11(2)16-19-15(10-20(16)3)24(22,23)18-8-7-14(21)12-5-4-6-13(17)9-12/h4-6,9-11,14,18,21H,7-8H2,1-3H3/t14-/m1/s1
InChIKeyOFMRCTSRPBXXRD-CQSZACIVSA-N
MW371.89 g/mol
LogP2.60
Rot. Bonds7

About N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 100697642) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID100697642
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC NameN-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCC[C@@H](O)c2cccc(Cl)c2)cn1C
InChIInChI=1S/C16H22ClN3O3S/c1-11(2)16-19-15(10-20(16)3)24(22,23)18-8-7-14(21)12-5-4-6-13(17)9-12/h4-6,9-11,14,18,21H,7-8H2,1-3H3/t14-/m1/s1
InChIKeyOFMRCTSRPBXXRD-CQSZACIVSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-chlorophenyl)-3-hydroxypropyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 91624416
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 100697740
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 100726241
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 91624402
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 121176610
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
CID 100696177
[1-[[3-(3-chlorophenyl)-3-hydroxypropyl]amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91624388
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
1-methyl-2-propan-2-yl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122327759
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 100697642) is N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NCC[C@@H](O)c2cccc(Cl)c2)cn1C.
What is the InChIKey of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is OFMRCTSRPBXXRD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c1-11(2)16-19-15(10-20(16)3)24(22,23)18-8-7-14(21)12-5-4-6-13(17)9-12/h4-6,9-11,14,18,21H,7-8H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 371.89 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 100697642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).