1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea

C22H21N3O3S — CID 51945151

IUPAC1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H21N3O3S/c1-14(15-6-9-19(10-7-15)29(23,27)28)24-22(26)25-18-8-11-21-17(13-18)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12H2,1H3,(H2,23,27,28)(H2,24,25,26)/t14-/m0/s1
InChIKeyKUBAJUIJJCLPPX-AWEZNQCLSA-N
MW407.50 g/mol
LogP3.79
Rot. Bonds4

About 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea

1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 51945151) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID51945151
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H21N3O3S/c1-14(15-6-9-19(10-7-15)29(23,27)28)24-22(26)25-18-8-11-21-17(13-18)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12H2,1H3,(H2,23,27,28)(H2,24,25,26)/t14-/m0/s1
InChIKeyKUBAJUIJJCLPPX-AWEZNQCLSA-N
XLogP3.79
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea with MolForge

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Related Compounds

1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
1-(3-pyrazol-1-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55746519
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
1-[4-[benzyl(methyl)amino]phenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 60543342
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
1-(3-bromo-4-methylphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78874719

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea (CID 51945151) is 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea is C[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is KUBAJUIJJCLPPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14(15-6-9-19(10-7-15)29(23,27)28)24-22(26)25-18-8-11-21-17(13-18)12-16-4-2-3-5-20(16)21/h2-11,13-14H,12H2,1H3,(H2,23,27,28)(H2,24,25,26)/t14-/m0/s1.
What are the key properties of 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 407.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 51945151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).