[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid

C21H26N2O4S — CID 69029468

IUPAC[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N2O4S/c24-21(25)22-14-16-6-8-17(9-7-16)15-23-28(26,27)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,10-13,16-17,22-23H,6-9,14-15H2,(H,24,25)
InChIKeyGGQQZSUDWPANFI-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.71
Rot. Bonds7

About [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid

[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 69029468) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID69029468
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N2O4S/c24-21(25)22-14-16-6-8-17(9-7-16)15-23-28(26,27)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,10-13,16-17,22-23H,6-9,14-15H2,(H,24,25)
InChIKeyGGQQZSUDWPANFI-UHFFFAOYSA-N
XLogP3.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525486
N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide
CID 162354184
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
N-[2-(benzenesulfonamido)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119704261
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid (CID 69029468) is [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid is O=C(O)NCC1CCC(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is GGQQZSUDWPANFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c24-21(25)22-14-16-6-8-17(9-7-16)15-23-28(26,27)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,10-13,16-17,22-23H,6-9,14-15H2,(H,24,25).
What are the key properties of [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 402.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-phenylphenyl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 69029468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).